(3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide

C18H25FN2O2 — CID 124744199

IUPAC(3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CC[C@H]([C@H]3CCOC3)C2)cc1F
InChIInChI=1S/C18H25FN2O2/c1-12(2)16-4-3-15(9-17(16)19)20-18(22)21-7-5-13(10-21)14-6-8-23-11-14/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyZVIYJHQOQVXPNK-KBPBESRZSA-N
MW320.41 g/mol
LogP3.84
Rot. Bonds3

About (3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide

(3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide (PubChem CID 124744199) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide
PubChem CID124744199
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CC[C@H]([C@H]3CCOC3)C2)cc1F
InChIInChI=1S/C18H25FN2O2/c1-12(2)16-4-3-15(9-17(16)19)20-18(22)21-7-5-13(10-21)14-6-8-23-11-14/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyZVIYJHQOQVXPNK-KBPBESRZSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aR,8aS)-N-(3,4-difluorophenyl)-6-(2-methylpropyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepine-2-carboxamide
CID 155877141
(3S)-3-[(3R)-oxolan-3-yl]-N-(2-propan-2-yl-6-prop-2-enylphenyl)pyrrolidine-1-carboxamide
CID 124886358
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CID 51944608
(4aR,8aS)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944607
N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 167232925
N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
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(3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
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2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 107793053
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide (CID 124744199) is (3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CC[C@H]([C@H]3CCOC3)C2)cc1F.
What is the InChIKey of (3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is ZVIYJHQOQVXPNK-KBPBESRZSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-12(2)16-4-3-15(9-17(16)19)20-18(22)21-7-5-13(10-21)14-6-8-23-11-14/h3-4,9,12-14H,5-8,10-11H2,1-2H3,(H,20,22)/t13-,14-/m0/s1.
What are the key properties of (3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide?
(3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124744199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).